14-methyl-9,9-diphenyl-14-aza-9-silahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene

C35H25NSi — CID 140775274

IUPAC14-methyl-9,9-diphenyl-14-aza-9-silahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene
SMILESCn1c2ccc3c(c2c2c4ccccc4ccc21)-c1ccccc1[Si]3(c1ccccc1)c1ccccc1
InChIInChI=1S/C35H25NSi/c1-36-29-21-20-24-12-8-9-17-27(24)33(29)35-30(36)22-23-32-34(35)28-18-10-11-19-31(28)37(32,25-13-4-2-5-14-25)26-15-6-3-7-16-26/h2-23H,1H3
InChIKeyCESYDMKZAAQDEB-UHFFFAOYSA-N
MW487.68 g/mol
LogP5.84
Rot. Bonds2

About 14-methyl-9,9-diphenyl-14-aza-9-silahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene

14-methyl-9,9-diphenyl-14-aza-9-silahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene (PubChem CID 140775274) has the molecular formula C35H25NSi and a molecular weight of 487.68 g/mol. Its IUPAC name is 14-methyl-9,9-diphenyl-14-aza-9-silahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene.

Molecular Properties

Compound Name14-methyl-9,9-diphenyl-14-aza-9-silahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene
PubChem CID140775274
Molecular FormulaC35H25NSi
Molecular Weight487.68 g/mol
Exact Mass487.18
IUPAC Name14-methyl-9,9-diphenyl-14-aza-9-silahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene
SMILESCn1c2ccc3c(c2c2c4ccccc4ccc21)-c1ccccc1[Si]3(c1ccccc1)c1ccccc1
InChIInChI=1S/C35H25NSi/c1-36-29-21-20-24-12-8-9-17-27(24)33(29)35-30(36)22-23-32-34(35)28-18-10-11-19-31(28)37(32,25-13-4-2-5-14-25)26-15-6-3-7-16-26/h2-23H,1H3
InChIKeyCESYDMKZAAQDEB-UHFFFAOYSA-N
XLogP5.84
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms37
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.68
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 14-methyl-9,9-diphenyl-14-aza-9-silahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 14-methyl-9,9-diphenyl-14-aza-9-silahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene?
The IUPAC name of 14-methyl-9,9-diphenyl-14-aza-9-silahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene (CID 140775274) is 14-methyl-9,9-diphenyl-14-aza-9-silahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene.
What is the SMILES notation for 14-methyl-9,9-diphenyl-14-aza-9-silahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene?
The canonical SMILES for 14-methyl-9,9-diphenyl-14-aza-9-silahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene is Cn1c2ccc3c(c2c2c4ccccc4ccc21)-c1ccccc1[Si]3(c1ccccc1)c1ccccc1.
What is the InChIKey of 14-methyl-9,9-diphenyl-14-aza-9-silahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene?
The InChIKey is CESYDMKZAAQDEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H25NSi/c1-36-29-21-20-24-12-8-9-17-27(24)33(29)35-30(36)22-23-32-34(35)28-18-10-11-19-31(28)37(32,25-13-4-2-5-14-25)26-15-6-3-7-16-26/h2-23H,1H3.
What are the key properties of 14-methyl-9,9-diphenyl-14-aza-9-silahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene?
14-methyl-9,9-diphenyl-14-aza-9-silahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene has a molecular weight of 487.68 g/mol, XLogP of 5.84, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 14-methyl-9,9-diphenyl-14-aza-9-silahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene is sourced from PubChem (CID 140775274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).